4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide

C19H26N4O — CID 48782141

IUPAC4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCC(C)CCN1CCN(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C19H26N4O/c1-15(2)8-10-22-11-13-23(14-12-22)19(24)21-17-7-3-5-16-6-4-9-20-18(16)17/h3-7,9,15H,8,10-14H2,1-2H3,(H,21,24)
InChIKeyVJSYWTGTJYQMKE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.43
Rot. Bonds4

About 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide

4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 48782141) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID48782141
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCC(C)CCN1CCN(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C19H26N4O/c1-15(2)8-10-22-11-13-23(14-12-22)19(24)21-17-7-3-5-16-6-4-9-20-18(16)17/h3-7,9,15H,8,10-14H2,1-2H3,(H,21,24)
InChIKeyVJSYWTGTJYQMKE-UHFFFAOYSA-N
XLogP3.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113110970
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 108522906
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374
4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114415
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 121022748
4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114157
2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
ethyl 2-[[4-(3-methylbutyl)piperazine-1-carbonyl]amino]benzoate
CID 113110699

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide (CID 48782141) is 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide is CC(C)CCN1CCN(C(=O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is VJSYWTGTJYQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)8-10-22-11-13-23(14-12-22)19(24)21-17-7-3-5-16-6-4-9-20-18(16)17/h3-7,9,15H,8,10-14H2,1-2H3,(H,21,24).
What are the key properties of 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 48782141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).